Geometry & MOs

Info

ID:

99830

PubChem CID:

50055290

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

726.19769

ΔHf, kcal/mol:

-294.88

Dipole, Da:

16.58

IP(EA), eV:

 -8.91(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations